9-ethyl-N2-(phenylmethyl)-8-(4-phenylpyrazol-1-yl)-4,5-dihydropurine-2,6-diamine

Systemtic Name: 9-ethyl-N2-(phenylmethyl)-8-(4-phenylpyrazol-1-yl)-4,5-dihydropurine-2,6-diamine Openeye Name: N2-benzyl-9-ethyl-8-(4-phenylpyrazol-1-yl)-4,5-dihydropurine-2,6-diamine CAS Name: 9-ethyl-N2-(phenylmethyl)-8-(4-phenyl-1-pyrazolyl)-4,5-dihydropurine-2,6-diamine IUPAC Name: 2-N-benzyl-9-ethyl-8-(4-phenylpyrazol-1-yl)-4,5-dihydropurine-2,6-diamine Traditional Name: [6-amino-9-ethyl-8-(4-phenylpyrazol-1-yl)-4,5-dihydropurin-2-yl]-benzyl-amine Formula: C23H24N8 MolecularWeight: 412.49026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=C(C=N4)C5=CC=CC=C5

Isomeric SMILES

CCN1C2C(C(=NC(=N2)NCC3=CC=CC=C3)N)N=C1N4C=C(C=N4)C5=CC=CC=C5

InChI

InChI=1S/C23H24N8/c1-2-30-21-19(20(24)28-22(29-21)25-13-16-9-5-3-6-10-16)27-23(30)31-15-18(14-26-31)17-11-7-4-8-12-17/h3-12,14-15,19,21H,2,13H2,1H3,(H3,24,25,28,29)